| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:36:13 UTC |
|---|
| Update Date | 2025-03-21 17:57:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00006621 |
|---|
| Frequency | 776.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H11NO4 |
|---|
| Molecular Mass | 209.0688 |
|---|
| SMILES | Nc1ccccc1C(=O)CC(O)C(=O)O |
|---|
| InChI Key | QJLIOONCGWCKPO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alkyl-phenylketones |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativesamino acidsaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminessecondary alcoholsvinylogous amides |
|---|
| Substituents | beta-hydroxy ketonemonocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidalpha-hydroxy acidbenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholvinylogous amidehydroxy acidgamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidsecondary alcoholhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
|---|
